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Details

Stereochemistry EPIMERIC
Molecular Formula C21H22O6
Molecular Weight 370.3958
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Deoxy-5-O-(4-phenylbenzoyl)-D-erythro-pentofuranose

SMILES

CC1=CC=C(C=C1)C(=O)OC[C@H]2OC(O)C[C@@H]2OC(=O)C3=CC=C(C)C=C3

InChI

InChIKey=HMTWHMYPWSAEHP-PAMZHZACSA-N
InChI=1S/C21H22O6/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19,22H,11-12H2,1-2H3/t17-,18+,19?/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O6
Molecular Weight 370.3958
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:13 UTC 2023
Edited
by admin
on Sat Dec 16 19:49:13 UTC 2023
Record UNII
7DTZ95Q75S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Deoxy-5-O-(4-phenylbenzoyl)-D-erythro-pentofuranose
Systematic Name English
p-Toluic acid, 3,5-diester with 2-deoxy-D-erythro-pentofuranose
Systematic Name English
(2R,3S)-5-hydroxy-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate
Systematic Name English
rac-2-Deoxy-D-erythro-pentofuranose 3,5-Di-p-toluate (Decitabine Impurity)
Systematic Name English
D-erythro-Pentofuranose, 2-deoxy-, 3,5-di-p-toluate
Systematic Name English
Code System Code Type Description
PUBCHEM
53885409
Created by admin on Sat Dec 16 19:49:13 UTC 2023 , Edited by admin on Sat Dec 16 19:49:13 UTC 2023
PRIMARY
FDA UNII
7DTZ95Q75S
Created by admin on Sat Dec 16 19:49:13 UTC 2023 , Edited by admin on Sat Dec 16 19:49:13 UTC 2023
PRIMARY
CAS
17117-72-5
Created by admin on Sat Dec 16 19:49:13 UTC 2023 , Edited by admin on Sat Dec 16 19:49:13 UTC 2023
PRIMARY